Geometry & MOs

Info

ID:	433088
PubChem CID:	135173225
Reduced:	NH14C21 (2)
Stoich.:	AB14C21 (2)
Weight, g/mol:	576.256549
ΔH_f, kcal/mol:	197.68
Dipole, Da:	1.74
IP(EA), eV:	-8.21(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-[3-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)phenyl]indole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)C4=CC(=CC=C4)N5C6=CC=CC=C6C7=CC=CC=C75)C8=CC=CC=C82)C9=CC=CC=N9

DOS

IR

Vibrations